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4-Chloranyl-N-[(E)-[3-(2,5-diphenylpyrazol-3-yl)-3-methyl-butan-2-ylidene]amino]benzamide
SpectraBase Compound ID JbFKjQkoZZK
InChI InChI=1S/C27H25ClN4O/c1-19(29-30-26(33)21-14-16-22(28)17-15-21)27(2,3)25-18-24(20-10-6-4-7-11-20)31-32(25)23-12-8-5-9-13-23/h4-18H,1-3H3,(H,30,33)/b29-19+
InChIKey OFSIDQLKYQKIJA-VUTHCHCSSA-N
Mol Weight 456.98 g/mol
Molecular Formula C27H25ClN4O
Exact Mass 456.171689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uaECb3EM69
Name 4-Chloranyl-N-[(E)-[3-(2,5-diphenylpyrazol-3-yl)-3-methyl-butan-2-ylidene]amino]benzamide
Alternate Name(s) 4-Chloro-N-[(E)-[2-(2,5-diphenylpyrazol-3-yl)-1,2-dimethyl-propylidene]amino]benzamide 4-Chloro-N-[(E)-[3-(2,5-diphenyl-3-pyrazolyl)-3-methylbutan-2-ylidene]amino]benzamide 4-Chloro-N-[(E)-[3-(2,5-diphenylpyrazol-3-yl)-3-methylbutan-2-ylidene]amino]benzamide
CAS Registry Number 110606-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25ClN4O
InChI InChI=1S/C27H25ClN4O/c1-19(29-30-26(33)21-14-16-22(28)17-15-21)27(2,3)25-18-24(20-10-6-4-7-11-20)31-32(25)23-12-8-5-9-13-23/h4-18H,1-3H3,(H,30,33)/b29-19+
InChIKey OFSIDQLKYQKIJA-VUTHCHCSSA-N
Molecular Weight 456.977 g/mol
SMILES N(C(c1ccc(cc1)Cl)=O)\N=C\(C(c1[n](nc(c1)-c1ccccc1)-c1ccccc1)(C)C)C
SPLASH splash10-03di-0090000000-c5c24f040f0aa5bc8c19
Source of Spectrum Y-24-310-5
Wiley ID 1389359